*** ***
output from eigenvector calculation:
STDOUT:
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 240505110359556204.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 240505110359556204.atom to be opened.
Openam> File opened: 240505110359556204.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.454827 +/- 10.400086 From: -21.607000 To: 20.709000
= 0.126391 +/- 9.168741 From: -20.850000 To: 18.951000
= 3.082848 +/- 8.136589 From: -13.571000 To: 18.687000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.5246 % Filled.
Pdbmat> 16662 non-zero elements.
Pdbmat> 1720 atom-atom interactions.
Pdbmat> Number per atom= 17.46 +/- 5.33
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 34400.0
Pdbmat> Larger element = 120.246
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 591
Diagstd> Number of non-zero elements 16662
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34400.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34400.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5114101 0.8288929 0.8545220 0.9340106
1.1860012 1.4339552 1.5283477 1.7373076 1.9004191
2.0459736 2.1788971 2.4708694 2.9419387 3.0840207
3.2251051 3.3409827 3.5011383 3.8597456 3.8770855
4.0690961 4.1260747 4.3258334 4.4016725 4.6552679
4.8069690 4.9822360 5.0480912 5.7853740 5.8080105
6.0019758 6.2970504 6.3769982 6.5644511 6.9371490
7.3693835 7.6227549 7.7745383 8.0697526 8.4300000
8.5239066 8.5363330 8.8564408 9.0705420 9.4186858
9.5793942 9.8629173 9.9945668 10.2402000 10.2743617
10.5293956 10.9846208 11.1655178 11.2495501 11.3090288
11.8064876 11.8542440 12.3395349 12.6192467 12.8489848
13.2273946 13.5872967 13.7712833 14.0073880 14.3601522
14.5071811 14.8278143 15.0269560 15.3408727 15.4093209
15.5568714 15.6374151 16.3730035 16.5624901 16.7694158
16.8820452 16.9879289 17.3405584 17.4843165 17.7444374
17.8293111 17.8918014 18.2561500 18.5969980 18.6642207
18.9575941 19.2395358 19.3132431 19.6437230 19.7756106
19.9359171 20.0611201 20.4632419 20.6069105 20.9542775
21.1256609 21.3735962 21.5984779 21.7458058 21.8589608
21.9820462 22.3662772 22.6939678 22.7719233 23.0114638
23.1378959 23.3892599 23.5236133 23.7827095 24.0578932
24.0916171 24.2893271 24.5516566 24.7750572 24.9552144
25.1702662 25.5002273 25.5431199 25.7088455 25.8122569
26.1896329 26.2882591 26.5511739 26.7496968 26.8288465
26.9182791 26.9928007 27.2638960 27.3948326 27.6484316
27.7996217 28.0003529 28.1082925 28.3180826 28.6050869
28.6800846 28.7961030 29.1263993 29.1839363 29.3929350
29.4600731 29.6415566 29.9455974 30.0646919 30.2470980
30.4356651 30.6335217 30.6972877 30.8087878 30.9219774
31.1204553 31.3650713 31.7096517 31.9437703 32.0525191
32.2115366 32.4831923 32.5629983 32.8043950 33.1005578
33.2507188 33.4046936 33.5142056 33.6276041 33.9177199
34.0764182 34.1377045 34.4089693 34.5709344 34.8277780
35.0313357 35.0626234 35.2460646 35.5336478 35.5744469
35.8495279 36.0804733 36.2931697 36.3896255 36.5173260
36.6139479 36.9023021 37.0167137 37.1171968 37.2982210
37.4576614 37.5430726 37.7073909 37.8364327 38.1003513
38.1853543 38.2625105 38.4331403 38.5652925 38.6383780
38.7214518 38.9907073 39.3046824 39.5213582 39.6214862
39.7619172 39.9168541 40.0974411 40.3765653 40.4317650
40.6173902 40.7038258 40.7501970 40.7873700 40.9731322
41.1712289 41.3594832 41.5133699 41.5763010 41.6606910
41.8742789 41.9695243 42.1296492 42.2686089 42.4091796
42.4731219 42.5754377 42.7529151 43.0011814 43.2502683
43.3075185 43.4495086 43.6152582 43.7671497 43.7788030
43.9396149 44.0414822 44.2225393 44.2907404 44.4512436
44.5891799 44.7099948 44.8066445 45.0733504 45.2134044
45.2429203 45.3967993 45.6167301 45.7304734 45.8972171
46.0615236 46.2631361 46.2723735 46.4463019 46.5224289
46.7950499 46.9001535 47.0456011 47.2148718 47.3628358
47.4930447 47.6619592 47.8174442 48.0400145 48.0514341
48.2481203 48.4087072 48.6418316 48.6628126 48.7424032
48.9440093 49.0416544 49.2864836 49.4064966 49.5726681
49.6681731 49.8342193 49.9061190 50.1765207 50.2421141
50.5211364 50.5497641 50.8654633 50.9911844 51.1549730
51.2745904 51.5498214 51.7578441 51.8062480 52.0814908
52.4425905 52.6211243 52.7120893 52.9369838 52.9727850
53.3219118 53.4097284 53.5171751 53.6058107 53.7595283
53.9906815 54.3130723 54.7626167 55.0141671 55.1476551
55.2760669 55.4990028 55.6927496 55.7414434 55.8769271
55.9489399 56.1238186 56.4362073 56.5291698 56.6309685
56.8108730 57.2348989 57.2758962 57.4107388 57.6886404
57.7753292 57.8837422 58.1986143 58.2747375 58.3500205
58.6360426 58.7980053 59.0909647 59.1919321 59.2339167
59.4170024 59.4920743 59.6877631 60.0043424 60.2112420
60.2997034 60.5139699 60.5488117 60.8623436 60.9931336
61.1716303 61.4430203 61.5375912 61.7290647 61.7726546
62.2004045 62.5228508 62.5389902 62.7084921 62.9924225
63.0756948 63.2996144 63.5153072 63.5320749 63.7323648
63.9308968 64.1277725 64.3355731 64.5742641 64.8525620
64.9448011 65.4803423 65.7339568 65.8525774 66.1954928
66.3238212 66.3748955 66.6844315 66.9542080 67.2516329
67.3060807 67.4158473 67.7908700 67.9294161 67.9414077
68.3710940 68.5200623 68.7532281 68.9355023 69.2267120
69.3671397 69.6228560 69.7128576 70.1284087 70.2514549
70.4673315 70.5637738 70.8054537 71.0457780 71.4456818
71.5323847 71.9055979 72.0886582 72.2904460 72.4647389
72.6848612 72.8498279 73.3708123 73.5642125 73.8513075
74.0836903 74.2823307 74.4480362 74.9217924 75.0093657
75.1210591 75.3913015 75.5206296 75.6545234 75.8285254
76.0010834 76.4667036 76.6687954 77.2015743 77.3838113
77.7142690 77.8880357 78.1901896 78.2631632 78.3534137
78.5346346 78.5882720 78.9228690 79.0009826 79.5765031
79.7395720 80.0168602 80.0432432 80.2206631 80.6698010
80.9394281 81.1366819 81.1772395 81.3683369 81.4439792
81.7691067 81.9636043 82.3421427 82.3928737 82.5560341
82.9057657 83.0502285 83.2826128 83.4327805 84.0525649
84.3086467 84.4839849 84.5732226 84.6294823 84.8669876
85.0703093 85.3344278 85.4029246 85.4846293 85.7964329
86.2011519 86.4935353 86.6041068 86.7914159 87.0905679
87.3555769 87.5834168 87.9158851 87.9886976 88.2482688
88.6066595 88.8639894 89.1801698 89.8125613 90.1054893
90.1784309 90.5715531 90.6706657 91.0669252 91.3099942
91.6218757 91.9451658 92.2121541 92.3940304 92.6089488
92.8298017 92.9218089 93.5369933 93.6485055 93.7979240
93.9843650 94.0695286 94.2737123 94.4359738 94.8394968
95.3326426 95.4713355 95.9329978 96.7146061 96.8794108
97.2335798 97.4499387 97.9604238 98.2492874 98.5662126
98.6743433 98.9795488 99.0921527 99.3187270 99.8368670
100.1176153 100.4975108 100.7261133 101.2932036 101.5528849
101.7204493 102.1463084 102.2582159 103.0477360 103.4811066
103.7920826 104.0380472 104.6319847 104.9775898 105.0326835
105.1816961 105.6041325 106.1872165 106.4682318 106.9009951
107.1527269 107.6454331 107.7831912 108.2056815 108.4362747
109.0273998 109.2695000 109.6213957 110.1365290 110.5888760
111.3222402 111.7217380 112.0766778 112.4259608 113.0355484
113.8712689 114.0771430 114.5373231 114.9049908 115.3976749
116.1189389 116.5711971 117.4957722 117.8096623 118.3739467
119.1914125 119.3492394 119.9551559 120.4132428 121.3554731
122.0680489 122.2288374 122.4384989 122.9159857 123.5023376
123.9813984 124.8754750 125.5649116 127.1278159 127.9997481
128.4861747 129.2964401 129.7325746 130.7194550 131.7538307
132.5254886 134.0880141 134.4624619 135.2860908 135.4429807
136.2032919 138.0826031 139.1808149 139.7669307 140.4219228
141.4389594 143.0127055 144.7108900 146.3457493 147.1693361
151.9160333 154.8737556 155.3982666 156.6719396 158.5867264
166.1201074
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034242 0.0034332 0.0034410 0.0034427 0.0034507
0.0034582 77.6568793 98.8654377 100.3822462 104.9472785
118.2599894 130.0358399 134.2475507 143.1309793 149.6993687
155.3264042 160.2926622 170.6947562 186.2567811 190.7014170
195.0146410 198.4871484 203.1888687 213.3411437 213.8198258
219.0505014 220.5788264 225.8552419 227.8264504 234.2974820
238.0844013 242.3859412 243.9826117 261.1926791 261.7031651
266.0372187 272.4983414 274.2227154 278.2239356 286.0130118
294.7887187 299.8135511 302.7837637 308.4788478 315.2891795
317.0404098 317.2714209 323.1654260 327.0483018 333.2655590
336.0967415 341.0342341 343.3027391 347.4957516 348.0748980
352.3684383 359.9049459 362.8563394 364.2192179 365.1807994
373.1261077 373.8799806 381.4561979 385.7553833 389.2509568
394.9411946 400.2780810 402.9790666 406.4188657 411.5047015
413.6059679 418.1516836 420.9502653 425.3244154 426.2722198
428.3082216 429.4155456 439.3993983 441.9346936 444.6868087
446.1776480 447.5746679 452.1961071 454.0666555 457.4318471
458.5245169 459.3273597 463.9806601 468.2919615 469.1375661
472.8102581 476.3131534 477.2246670 481.2903803 482.9033639
484.8566876 486.3768205 491.2273053 492.9486961 497.0861078
499.1147827 502.0350986 504.6692616 506.3875652 507.7033581
509.1307625 513.5611133 517.3095515 518.1972889 520.9156472
522.3447235 525.1743661 526.6805694 529.5731355 532.6281025
533.0012856 535.1838781 538.0661621 540.5086060 542.4702595
544.8026168 548.3619421 548.8229336 550.6004564 551.7067150
555.7250656 556.7704710 559.5477377 561.6357082 562.4660068
563.4027024 564.1820371 567.0080680 568.3679836 570.9926665
572.5517199 574.6150980 575.7215846 577.8660799 580.7870386
581.5479032 582.7229726 586.0554105 586.6339791 588.7308006
589.4027939 591.2154615 594.2398485 595.4203303 597.2238421
599.0825619 601.0266700 601.6518865 602.7435700 603.8497756
605.7846314 608.1607949 611.4923332 613.7455659 614.7893901
616.3125362 618.9059133 619.6657227 621.9583413 624.7595980
626.1751080 627.6232549 628.6511948 629.7138465 632.4243814
633.9021868 634.4719660 636.9877970 638.4852068 640.8526200
642.7226849 643.0096395 644.6894994 647.3142637 647.6857750
650.1850817 652.2759905 654.1957671 655.0645138 656.2129015
657.0804711 659.6628249 660.6846400 661.5807578 663.1920927
664.6080691 665.3653600 666.8198537 667.9598709 670.2854165
671.0327125 671.7103048 673.2063687 674.3627841 675.0014777
675.7267263 678.0720400 680.7966746 682.6706174 683.5348488
684.7451085 686.0779054 687.6280901 690.0172790 690.4887867
692.0720146 692.8080028 693.2025264 693.5186292 695.0961176
696.7744154 698.3655888 699.6635911 700.1937086 700.9039620
702.6983780 703.4970873 704.8378235 705.9992793 707.1722593
707.7051765 708.5570785 710.0323671 712.0909626 714.1503992
714.6229019 715.7934412 717.1574331 718.4051092 718.5007431
719.8191615 720.6530742 722.1328785 722.6895089 723.9977857
725.1202317 726.1019284 726.8863127 729.0464524 730.1782372
730.4165332 731.6576153 733.4277798 734.3415956 735.6791654
736.9948104 738.6059727 738.6797080 740.0666789 740.6729273
742.8399251 743.6736819 744.8259365 746.1646803 747.3329466
748.3595181 749.6891502 750.9109896 752.6565494 752.7460017
754.2850139 755.5392361 757.3562958 757.5196160 758.1388448
759.7051167 760.4625589 762.3584126 763.2860233 764.5685457
765.3046873 766.5828693 767.1356744 769.2111163 769.7137290
771.8480930 772.0667458 774.4738928 775.4304124 776.6747927
777.5823250 779.6664793 781.2380178 781.6032390 783.6767888
786.3888520 787.7262926 788.4068618 790.0869285 790.3540506
792.9542592 793.6069545 794.4048205 795.0623986 796.2015251
797.9114278 800.2901380 803.5952779 805.4388083 806.4153869
807.3537136 808.9801592 810.3910021 810.7451991 811.7298890
812.2527890 813.5212215 815.7821347 816.4537420 817.1885538
818.4855410 821.5343753 821.8285551 822.7953870 824.7843886
825.4038586 826.1779136 828.4219591 828.9635664 829.4988469
831.5293942 832.6770152 834.7488325 835.4616863 835.7579286
837.0485515 837.5771792 838.9535802 841.1755107 842.6244816
843.2432400 844.7400841 844.9832349 847.1681427 848.0779147
849.3179596 851.1998888 851.8547049 853.1789438 853.4801264
856.4300258 858.6470183 858.7578353 859.9208106 861.8653789
862.4348585 863.9643305 865.4350536 865.5492811 866.9125634
868.2617689 869.5976508 871.0054393 872.6196993 874.4980574
875.1197312 878.7204847 880.4205435 881.2145696 883.5059732
884.3619535 884.7024001 886.7628834 888.5548031 890.5261917
890.8866094 891.6127675 894.0892719 895.0024435 895.0814378
897.9073880 898.8850444 900.4131461 901.6059155 903.5082714
904.4241990 906.0897082 906.6751708 909.3734544 910.1708911
911.5682559 912.1918335 913.7526201 915.3020127 917.8744329
918.4312067 920.8240025 921.9953934 923.2848988 924.3972528
925.8001843 926.8501943 930.1584674 931.3835764 933.1992362
934.6662999 935.9185200 936.9618398 939.9383288 940.4874978
941.1874581 942.8788645 943.6872367 944.5234184 945.6089751
946.6842937 949.5797937 950.8337749 954.1317737 955.2572402
957.2947198 958.3643629 960.2214723 960.6694473 961.2231935
962.3341419 962.6627118 964.7098493 965.1871401 968.6964443
969.6884668 971.3730122 971.5331389 972.6092688 975.3281818
976.9567685 978.1464921 978.3909338 979.5418601 979.9970594
981.9512040 983.1183546 985.3859423 985.6894439 986.6649281
988.7526209 989.6136933 990.9972540 991.8902905 995.5676256
997.0830635 998.1193504 998.6463519 998.9784560 1000.3792472
1001.5768694 1003.1304662 1003.5329850 1004.0129086 1005.8423014
1008.2118902 1009.9203062 1010.5656302 1011.6578760 1013.3998639
1014.9405362 1016.2632528 1018.1903029 1018.6118515 1020.1132237
1022.1825486 1023.6657750 1025.4852728 1029.1147936 1030.7916811
1031.2088163 1033.4540884 1034.0193892 1036.2764222 1037.6584757
1039.4290960 1041.2613071 1042.7720068 1043.7998652 1045.0131548
1046.2584814 1046.7768468 1050.2361984 1050.8620431 1051.7000471
1052.7447541 1053.2216164 1054.3640383 1055.2710203 1057.5231926
1060.2690793 1061.0400548 1063.6023498 1067.9263783 1068.8358809
1070.7878084 1071.9784759 1074.7825529 1076.3660346 1078.1006674
1078.6918631 1080.3588034 1080.9731629 1082.2082801 1085.0275165
1086.5520328 1088.6115372 1089.8489710 1092.9126017 1094.3126332
1095.2150807 1097.5052797 1098.1063071 1102.3373114 1104.6528377
1106.3114146 1107.6214975 1110.7786196 1112.6115884 1112.9035073
1113.6926800 1115.9268753 1119.0033808 1120.4830756 1122.7579898
1124.0791547 1126.6605429 1127.3812281 1129.5886307 1130.7916030
1133.8695894 1135.1277954 1136.9541308 1139.6223897 1141.9602903
1145.7404579 1147.7944537 1149.6162788 1151.4062541 1154.5235686
1158.7836539 1159.8306953 1162.1676831 1164.0314822 1166.5243521
1170.1642065 1172.4407604 1177.0811374 1178.6523753 1181.4717565
1185.5442366 1186.3288937 1189.3364802 1191.6052458 1196.2583000
1199.7652579 1200.5551655 1201.5843922 1203.9250875 1206.7932409
1209.1315281 1213.4834481 1216.8286537 1224.3781568 1228.5698061
1230.9020076 1234.7770934 1236.8578755 1241.5533742 1246.4558660
1250.1006680 1257.4486520 1259.2031734 1263.0538126 1263.7859757
1267.3281522 1276.0413948 1281.1057125 1283.8003634 1286.8049950
1291.4565717 1298.6215084 1306.3089056 1313.6671398 1317.3584019
1338.4343879 1351.4008731 1353.6873337 1359.2235491 1367.5042898
1399.6078895
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240505110359556204.eigenfacs
Openam> file on opening on unit 10:
240505110359556204.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240505110359556204.atom
Openam> file on opening on unit 11:
240505110359556204.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9430E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0041E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0051E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0098E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0142E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9340
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.900
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.98
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.511400
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.266 for 197 C-alpha atoms.
Bfactors> = 1.571 +/- 2.48
Bfactors> = 12.766 +/- 8.36
Bfactors> Shiftng-fct= 11.195
Bfactors> Scaling-fct= 3.374
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240505110359556204 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 240505110359556204 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 240505110359556204 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 240505110359556204 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 240505110359556204 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 240505110359556204 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 240505110359556204 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 240505110359556204 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 240505110359556204 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 240505110359556204 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=-20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=0
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=20
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=40
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=60
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=80
240505110359556204.eigenfacs
240505110359556204.atom
calculating perturbed structure for DQ=100
240505110359556204.eigenfacs
240505110359556204.atom
making animated gifs
11 models are in 240505110359556204.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240505110359556204.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
240505110359556204.10.pdb
240505110359556204.11.pdb
240505110359556204.12.pdb
240505110359556204.13.pdb
240505110359556204.14.pdb
240505110359556204.15.pdb
240505110359556204.16.pdb
240505110359556204.7.pdb
240505110359556204.8.pdb
240505110359556204.9.pdb
STDERR:
real 0m2.948s
user 0m2.940s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240505110359556204.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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